2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C15H21N6OS+ MolecularWeight: 333.43184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C15H20N6OS/c1-2-13-17-15(19-18-13)23-11-14(22)21-9-7-20(8-10-21)12-3-5-16-6-4-12/h3-6H,2,7-11H2,1H3,(H,17,18,19)/p+1